Professor Goddard's research has focused on describing the properties of chemical, biological, and materials systems directly from first principles (without the necessity of empirical data). To accomplish this the group has developed new theory, new methods, and new software. These methods are then applied to challenging applications usually in collaboration with experimentalists at Caltech, other universities, national laboratories, or industry.


Label Research Area Related
Papers
A Methods Learn More
A1 Quantum Mechanics (QM) #1254, #53, #593
A2 Reactive Force Fields (ReaxFF AND RexPoN)  #1313, #1357
A3 Generic Nonreactive Force Fields (UFF, Dreiding) #275, #263
A4 Coarse Grain FF #1418
A5 Charge Predictions #1213, #264
A6 Accurate Nonbond Interactions #1357
A7 The Electon Force Field (eFF) #1038
B Materials Applications Learn More
B1 Homogeneous Catalysis #1525, #1469
B2 Heterogeneous Catalysis #1234
B3 Electrocatalysis #1405, #1496, #1466
B4 Batteries #1548
B5 Fuel Cells #1194
B6 Thermoelectrics #1535
B7 Boron Carbide Ductility #1504
B8 Ceramics #1495
B9 Energetic Materials #1509
B10 Amorphous Metals #1366, #1502
B11 Other Systems
B11-1 Damage Free Electron Etching #1433
B11-2 Polymers #1462
B11-3 MOFs, COFs, and ZIFs #1454
B11-4 Superconductors #1456
C Biotechnology and Drug Design Learn More
C1 G-Protein Coupled Receptors (GPCRs) #1518
C2 Nucleic Acids #1508
C3 Other Protein Projects #1415, #422
D Mechanical Bonded Devices Learn More
D1 Electron-catalyzed Molecular Recognition #1512
D2 Electrochemical Switching of Molecular Rotor  #1553
D3 Other Papers on Mechanically Bonded Materials #1450